Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PRF1 | P14222 | 3/20 | 0.30 |
| ▸ | DDHD2 | O94830 | 1/20 | 0.30 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16478134 | 0.91 | PIK3CG (0.32) | CTSCCTSKCYP11B2TRPV1TRPA1 | |
| SCHEMBL16478212 | 0.84 | JAK2 (0.33) | CTSCCTSKCYP11B2PDE3BPDE3A | |
| SCHEMBL16478065 | 0.78 | DDHD2 (0.35) | EP300DDHD2 | |
| SCHEMBL16478100 | 0.78 | CTSC (0.37) | CTSCCTSKMAPK1 | |
| SCHEMBL16478102 | 0.77 | AXL (0.34) | CTSCCTSKTRPV1TRPA1MGLL | |
| SCHEMBL290330 | 0.77 | CTSC (0.38) | CTSCCTSKMAPK1PRF1PDE3B | |
| SCHEMBL16478110 | 0.76 | DPP4 (0.35) | TRPV1TRPA1MGLLDDHD2 | |
| SCHEMBL16478143 | 0.76 | HRH3 (0.46) | DDHD2 | |
| SCHEMBL16478211 | 0.75 | CTSC (0.44) | CTSCCTSKPRF1 | |
| SCHEMBL16478238 | 0.74 | TTK (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |